Dioxane - PureSpectra™, Spectrum pure, ≥99.5% , CAS No.123-91-1

CAS: 123-91-1 Cat. No.: D116163 Formule: C₄H₈O₂ Poids moléculaire: 88.11 Beilstein Registry Number: 102551 Numéro CE: 204-661-8

GRADE & PURITY PureSpectra™, Spectrum pure, ≥99.5%

Synonyms

1-4-dioxane | AMY33329 | Dioksan | Dioxane-1,4 | EINECS 204-661-8 | Dioxane 1.4 | Glycolethylenether | 1,4-Dioxane, for HPLC | 5-19-01-00016 (Beilstein Handbook Reference) | Dioxane | EC 204-661-8 | 1,4- dioxane | 1,4 -dioxane | 1-4 Dioxane | Dioxyethylen

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

Synonymes

1-4-dioxane | AMY33329 | Dioksan | Dioxane-1,4 | EINECS 204-661-8 | Dioxane 1.4 | Glycolethylenether | 1,4-Dioxane, for HPLC | 5-19-01-00016 (Beilstein Handbook Reference) | Dioxane | EC 204-661-8 | 1,4- dioxane | 1,4 -dioxane | 1-4 Dioxane | Dioxyethylen

Spécifications et pureté

PureSpectra™, Spectrum pure, ≥99.5%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

FedEx DG Service

Grade

PureSpectra™, Spectrum pure

Pureté

≥99.5%

Noms et identifiants

Pubchem Sid

508807075

Sourires canoniques

C1COCCO1

IUPAC Name

1,4-dioxane

InChIKey

RYHBNJHYFVUHQT-UHFFFAOYSA-N

INCHI

1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2

Isomères SMILES

C1COCCO1

WGK Allemagne

2

RTECS

JG8225000

Numéro ONU

1165

Groupe d'emballage

II

Poids moléculaire

88.11

Beilstein

102551

Reaxy-Rn

102551

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102551&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Dioxanes
      • Subclass 1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Dioxanes
• Subclass: 1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-dioxanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Para-dioxane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Completely miscible with water
• Sensibilité: Hygroscopic.
• Point de congélation (°C): 11 °C
• Indice de réfraction: 1.4175
• Point d'éclair (°F): 51.8 °F - closed cup
• Point d'éclair (°C): 11℃ - closed cup
• Point d'ébullition (°C): 101.1°C
• Point de fusion (°C): 11.8°C
• Poids moléculaire: 88.110 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 88.0524 Da
• Monoisotopic Mass: 88.0524 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 26.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1